ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate

C10H16N2O2 — CID 115257497

IUPACethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)8-11-7-5-9-4-3-6-12-9/h3-4,6,11-12H,2,5,7-8H2,1H3
InChIKeyKBVSEEHHKQWSGA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds6

About ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate

ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate (PubChem CID 115257497) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
PubChem CID115257497
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccc[nH]1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)8-11-7-5-9-4-3-6-12-9/h3-4,6,11-12H,2,5,7-8H2,1H3
InChIKeyKBVSEEHHKQWSGA-UHFFFAOYSA-N
XLogP0.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
methyl 2-[[2-(1H-pyrrol-2-yl)ethylamino]methyl]butanoate
CID 115253218
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
CID 115257431
ethyl 5-(1H-pyrrol-2-ylmethyl)-1H-imidazole-2-carboxylate
CID 57211071
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
CID 174517586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate (CID 115257497) is ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate is CCOC(=O)CNCCc1ccc[nH]1.
What is the InChIKey of ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate?
The InChIKey is KBVSEEHHKQWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10(13)8-11-7-5-9-4-3-6-12-9/h3-4,6,11-12H,2,5,7-8H2,1H3.
What are the key properties of ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate?
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate has a molecular weight of 196.25 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate is sourced from PubChem (CID 115257497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).